1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine

C14H22ClN3 — CID 43281338

IUPAC1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCCN(C)CC1
InChIInChI=1S/C14H22ClN3/c1-16-11-12-13(15)5-3-6-14(12)18-8-4-7-17(2)9-10-18/h3,5-6,16H,4,7-11H2,1-2H3
InChIKeyZPJBZZLMHVOZHH-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.20
Rot. Bonds3

About 1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine

1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine (PubChem CID 43281338) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine
PubChem CID43281338
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1c(Cl)cccc1N1CCCN(C)CC1
InChIInChI=1S/C14H22ClN3/c1-16-11-12-13(15)5-3-6-14(12)18-8-4-7-17(2)9-10-18/h3,5-6,16H,4,7-11H2,1-2H3
InChIKeyZPJBZZLMHVOZHH-UHFFFAOYSA-N
XLogP2.20
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43280415
1-[2-(bromomethyl)-3-chlorophenyl]-4-methyl-1,4-diazepane
CID 107079656
1-[2-chloro-6-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 43585488
1-[2-chloro-6-(4-methylazepan-1-yl)phenyl]-N-methylmethanamine
CID 63624469
1-(2-chloro-6-thiomorpholin-4-ylphenyl)-N-methylmethanamine
CID 43281436
1-[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 61445796
1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
CID 62967711
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
1-[2-chloro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62973443
N-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 75440527
1-[3-chloro-2-(methylaminomethyl)phenyl]pyrrolidin-3-ol
CID 62943201
1-[[2-chloro-6-(4-methylpiperazin-1-yl)phenyl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111771969

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine (CID 43281338) is 1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine is CNCc1c(Cl)cccc1N1CCCN(C)CC1.
What is the InChIKey of 1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is ZPJBZZLMHVOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-16-11-12-13(15)5-3-6-14(12)18-8-4-7-17(2)9-10-18/h3,5-6,16H,4,7-11H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine?
1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 267.80 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43281338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).